[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V014-0135 |
| Compound Name: | [2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 509.46 |
| Molecular Formula: | C26 H22 Cl2 N4 O S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(c1ccccc1CSc1nnc(c2ccccc2[Cl])n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2126 |
| logD: | 6.2126 |
| logSw: | -6.1264 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.727 |
| InChI Key: | VMSLZSHWTRBUNH-UHFFFAOYSA-N |